[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: [5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid (2-cumyl-5-methyl-cyclohexyl) ester Formula: C32H39NO4S MolecularWeight: 533.72136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C2=CC=C(C=C2)OC)SC3=CC=CC=C3N)O)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(C(C2=CC=C(C=C2)OC)SC3=CC=CC=C3N)O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C32H39NO4S/c1-21-14-19-25(32(2,3)23-10-6-5-7-11-23)27(20-21)37-31(35)29(34)30(22-15-17-24(36-4)18-16-22)38-28-13-9-8-12-26(28)33/h5-13,15-18,21,25,27,29-30,34H,14,19-20,33H2,1-4H3